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Lattice dynamics of oxyfluoride Rb2KMoO3F3 / A. S. Krylov [et al.] // Ferroelectrics. - 2012. - Vol. 441. - P. 52-60, DOI 10.1080/00150193.2012.743791. - Cited References: 23 . - ISSN 0015-0193

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
   RAMAN-SCATTERING
   ELPASOLITE
   CRYSTALS
   DISORDER
   SPECTRA
   CS
Кл.слова (ненормированные):
Oxyfluorides -- lattice dynamics -- Ramam measurements
Аннотация: The complete Raman spectra of oxyfluoride Rb2KMoO 3F3 were obtained. At T ≈ 185 K phase transitions were found. Lattice dynamics of disordered structures of the investigated compound was simulated, and "soft" vibrational modes were found in the calculated spectrum. Copyright © Taylor & Francis Group, LLC.

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Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Sofronova, S. N.; Софронова, Светлана Николаевна; Kolesnikova, E. M.; Колесникова, Евгения Михайловна; Vtyurin, A. N.; Втюрин, Александр Николаевич; Isaenko, L. I.; International Symposium on Ferroic Domains and Micro- to Nanoscopic Structures(11th ; 20-24 Aug. 2012 ; Ekaterinburg, Russia); Russia/CIS/Baltic/Japan Symposium on Ferroelectricity(11 ; 2012 ; Aug. ; 20-24 ; Ekaterinburg)
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Influence of the molecular groups ordering on structural phase transitions in (NH4)2WO2F4 crystal / A. S. Krylov [et al.] // Cryst. Growth Des. - 2014. - Vol. 14, Is. 1. - P. 374-380, DOI 10.1021/cg400899m. - Cited References: 27. - This work was partly supported by the Russian Foundation for the Basic Research project no. 12-02-00056, no. 13-02-00825, and integration project SB RAS no. 28, SS-4828.2012.2. - Published as part of the Crystal Growth & Design virtual special issue Anion-controlled New Inorganic Materials. . - ISSN 1528-7483. - ISSN 1528-7505

РУБ Chemistry, Multidisciplinary + Crystallography + Materials Science, Multidisciplinary
Рубрики:
RAMAN-SCATTERING
   NEUTRON-SCATTERING
   SOLID-STATE
   OXYFLUORIDES
   DISORDER
   POLAR
   ANION
Аннотация: Phase transitions of the (NH4)2WO2F 4 crystal were studied by Raman spectroscopy in the range from 10 to 350 K. The mechanism of two phase transitions at T1 = 201 and T 2 = 160 K was proposed. The significant spectra changes occur in the range corresponding to the W-O vibrations. The first temperature phase transition is due to the ordering of the quasi-octahedral groups [WO 2F4]2- and partial ordering of ammonium groups. Experimental data allow for attributing the first (T1 = 201 K) phase transition to the first order close to the tricritical point. The noticeable changes of the Raman spectrum have been found in the range corresponding to the ammonium vibrations below the temperature T2. The second phase transition is associated with the further ordering of ammonium groups. Room temperature (296 K) experiments have been carried out under high hydrostatic pressure up to 10 GPa. Above 2 GPa, new spectral features appear, allowing for the assumption of the existence of a new high-pressure phase of (NH 4)2WO2F4, which is mainly connected with ordering of the [WO2F4]2- quasi-octahedral groups.

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Держатели документа:
Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
Inst Geol & Mineral SB RAS, Novosibirsk 630090, Russia
Inst Chem FEB RAS, Vladivostok 690022, Russia

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Goryainov, S. V.; Laptash, N. M.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Krylova, S. N.; Крылова, Светлана Николаевна
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Experimental and theoretical methods to study structural phase transition mechanisms in K3WO3F3 oxyfluoride / A. S. Krylov [et al.] // J. Solid State Chem. - 2014. - Vol. 218. - P. 32-37, DOI 10.1016/j.jssc.2014.05.028. - Cited References: 21. - The Authors are grateful to Prof. Zinenko V.I. for constructive discussion of the results. The work has been done with financial support of the Russian Foundation for Basic Research projects nos. 4828.2012.2, 12-02-31205; Federal Special Program "Scientific and scientific-pedagogical staff of innovative Russia" project no. 8379. . - ISSN 0022-4596. - ISSN 1095-726X

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
LATTICE-DYNAMICS
   RAMAN-SCATTERING
   ELPASOLITE
   (NH4)3WO3F3
   SPECTROSCOPY
   CRYSTALS
Кл.слова (ненормированные):
Raman spectroscopy -- IR spectroscopy -- NMR spectroscopy -- High hydrostatic pressure -- Oxyfluorides -- Lattice dynamics calculations
Аннотация: The results of structural phase transitions mechanisms study in K3WO3F3oxyfluoride are represented by different experimental and theoretical methods. The structural phase transition anomalies at T1=452 K and T2=414 K of Raman and IR spectra have been analyzed. Using vibrational spectroscopy methods, the NMR-experiment has been done to clarify the nature of found phase transitions: displacive types or order-disorder types. The model of “disordered” crystal was proposed, and the results of lattice dynamics calculation in frameworks of the generalized Gordon–Kim method of ordered (R3) and “disordered” crystals were compared. The high pressure phases were studied by the Raman technique too.

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Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Russian Acad Sci, Siberian Branch, VS Sobolev Inst Geol & Mineral, Novosibirsk 630090, Russia

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Sofronova, S. N.; Софронова, Светлана Николаевна; Kolesnikova, E. M.; Колесникова, Евгения Михайловна; Ivanov, Y. N.; Иванов, Юрий Николаевич; Sukhovsky, A. A.; Суховский, Андрей Андреевич; Goryainov, S. V.; Ivanenko, A. A.; Иваненко, Александр Анатольевич; Shestakov, N. P.; Шестаков, Николай Петрович; Kocharova, A. G.; Кочарова, Алла Георгиевна; Vtyurin, A. N.; Втюрин, Александр Николаевич; Russian Foundation for Basic Research [4828.2012.2, 12-02-31205]; Federal Special Program "Scientific and scientific-pedagogical staff of innovative Russia" [8379]
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Aleksandrov, K. S.
Structural distortions in families of perovskite-like crystals / K. S. Aleksandrov, J. . Bartolome // Phase Transit. - 2001. - Vol. 74, Is. 3. - P. 255-335, DOI 10.1080/01411590108228754. - Cited References: 262 . - ISSN 0141-1594

РУБ Crystallography + Physics, Condensed Matter
Рубрики:
LOW-TEMPERATURE PHASE
   INELASTIC-NEUTRON-SCATTERING
   POWDER PROFILE REFINEMENT
   MII = CO
   X-RAY
   RAMAN-SCATTERING
   ORDERED PEROVSKITE
   RHOMBOHEDRAL PEROVSKITES
   RB2KMIIIF6 ELPASOLITES
   MAGNETIC-PROPERTIES
Кл.слова (ненормированные):
structural phase transitions -- perovskites -- perovskite-like crystals -- group theoretical classification
Аннотация: The crystallographic and group theoretical analysis of the structural phase transitions in perovskite and perovskite-like crystals is reviewed. We include ABX(3) perovskites and their relative crystals of ReO3 type (G(0) = O-h(1)), elpasolites, cryolites and their relatives (G(0) = O-h(5)) layered crystals of TIAIF(4) series (G(0) = D-4h(1)), Aurivillius and Ruddlesden-Popper series (G(0) = D-4h(17)). The structures in their initial phase G(0) often contain n layers (n = 1, 2,3) of vertex linked octahedra. The distorted phases produced by one kind of tilt and by superposition of tilts in the slabs are enumerated. Most of the tilts correspond to symmetry changes, which can be associated to definite librational lattice modes irreducible representations of the G(0) group. The softening of modes associated to the PT has been found experimentally in many perovskites, elpasolites and layered crystals with n = 1. In contrast, no such soft modes have been found yet for even-layered (n = 2) crystals. Examples of successive phase transitions due to the superposition of tilts in these types of crystals have been collected.

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Держатели документа:
LV Kirenskii Inst Phys, Siberian Branch, Russian Acad Sci, Krasnoyarsk 660036, Russia
Univ Zaragoza, CSIC, Inst Ciencias Mat Aragon, Zaragoza, Spain
ИФ СО РАН

Доп.точки доступа:
Bartolome, J.; Александров, Кирилл Сергеевич
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Phase transitions in elpasolites (ordered perovskites) / I. N. Flerov [et al.] // Materials Science and Engineering R: Reports. - 1998. - Vol. 24, Is. 3. - P. 81-151. - Cited References: 174 . - ISSN 0927-796X

РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
ELASTIC NEUTRON-DIFFRACTION
   MII = CO
   RAMAN-SCATTERING
   THERMODYNAMIC PROPERTIES
   CRYSTAL-STRUCTURE
   SINGLE-CRYSTALS
   RB2KMIIIF6 ELPASOLITES
   CUBIC PEROVSKITES
   TEMPERATURE FORM
   HIGH-RESOLUTION
Кл.слова (ненормированные):
Crystal atomic structure -- Crystal growth -- Crystal lattices -- Crystallization -- Crystallography -- Ferroelectricity -- Hydrostatic pressure -- Order disorder transitions -- Single crystals -- Thermodynamics -- Elpasolites -- Landau theory -- Perovskite
Аннотация: Many compounds with general chemical formula A2BB?X6 and with tolerance factor value t < 1 crystallize in the elpasolite (ordered perovskite) structure. Different preparative methods have been considered. For example, the Bridgman technique is the most suitable method of growing single crystals of halogenated elpasolites with monoatomic cations. Group-theory and symmetry analyses have allowed us to build a scheme of possible structural distortions connected with octahedral rotations and displacements of ions. Experimental observations have proven that ferroelastic phase transitions occurring most frequently in elpasolites are due to small octahedra tilts. Quantitative analysis allows the possibility of describing these transitions in the framework of the thermodynamic Landau theory. Hydrostatic pressure and the substitution of atoms in different crystallographic sites allow to change significantly the succession and the temperature of phase transitions. The hypothesis of bond stresses is able to predict the possible occurrence of a phase transition for a particular elpasolite and/or the role of the octahedra rotations in the transformation. The mechanism of phase transitions in elpasolites and related compounds has also been considered. One can assume that a displacive mechanism associated with a strong anharmonicity plays a large role in phase transitions occurring in compounds with monoatomic cations. On the other hand, for instance, in cryolites with ammonium cations, the transitions originate from an order-disorder phenomenon. В© 1998 Elsevier Science S.A. All rights reserved.

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Держатели документа:
L.V. Kirensky Institute of Physics, Krasnoyarsk 660036, Russian Federation
Inst. Chim. Matiere Cond. B., Universite Bordeaux I, 33608, Pessac Cedex, France
Lab. de Phys.-Chim. Molec., Universite Bordeaux I, 33405, Talence Cedex, France

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Tressaud, A.; Grannec, J.; Couzi, M.
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IR spectroscopy of the low-frequency phonon spectrum of the TbFe3(BO3)(4) single-crystal / V. S. Kurnosov [et al.] // Low Temp. Phys. - 2014. - Vol. 40, Is. 12. - P. 1087-1096, DOI 10.1063/1.4904002. - Cited References:27 . - ISSN 1063. - ISSN 1090-6517. -

РУБ Physics, Applied
Рубрики:
EARTH FERROBORATES RFe3(BO3)4
RAMAN-SCATTERING
TERBIUM FERROBORATE
Аннотация: A study of the IR reflectance spectra of the TbFe3(BO3)4 crystal. We determined the frequencies of the polar lattice phonons in the high-temperature R32, and low- temperature P3121, phases. All 8A 2 ⊕ 11E-modes were found in the high-temperature phase, with nine of them corresponding to lines of the absorption spectrum. In the low-temperature phase, of the 20A 2 ⊕ 35E-modes allowed by the symmetry of the crystal lattice, 20A 2 ⊕ 25E-modes were found.

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Публикация на русском языке ИК спектроскопия низкочастотного фононного спектра монокристалла TbFe3(BO3)4 [Текст] / В. С. Курносов [и др.] // Физ. низких температур : Физико-технический институт низких температур им. Б.И. Веркина НАН Украины, 2014. - Т. 40 Вып. 12. - С. 1397-1408

Держатели документа:
Natl Acad Sci Ukraine, B Verkin Inst Low Temp Phys & Engn, UA-61103 Kharkov, Ukraine.
Russian Acad Sci, Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Kurnosov, V. S.; Tsapenko, V. V.; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич; Gudim, I. A.; Гудим, Ирина Анатольевна
}
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    Ferroelastic and ferroelectric phase transitions in fluoro- and oxyfluorometallates / I. N. Flerov [и др.] // Photonic and electronic properties of fluoride materials : Elsevier, 2016. - Chapter 16. - P. 355-381. - (Progress in fluorine science series), DOI 10.1016/B978-0-12-801639-8.00016-7. - Cited References: 92. - The reported study was partially supported by RFBR, research project No. 15-02-02009 a
   Перевод заглавия: Сегнетоэластические и сегнетоэлектрические фазовые переходы во фтор- и оксифторидметаллатах

РУБ Chemistry, Organic + Chemistry, Physical
Рубрики:
ELASTIC NEUTRON-DIFFRACTION
   ORIENTATIONAL DISORDER
   CRYSTAL-STRUCTURES
   THERMODYNAMIC PROPERTIES
   NONCRITICAL PARAMETERS
   CUBIC PEROVSKITES
   RAMAN-SCATTERING
   SINGLE-CRYSTALS
   A2BX4 STRUCTURE
   HIGH-RESOLUTION
Аннотация: Different degree of structural disorder is one of the main features of many fluoro- and oxyfluorometallates crystallizing in high symmetry structures. The comprehensive study of these compounds (perovskites, elpasolites, pyrochlores, etc.) enabled to determine a great effect of the size and shape as well as crystallographic sites of cationic and anionic species on the mechanism of structural ordering. Ferroelastic and ferroelectric phase transitions of different order, type, and succession can be realized as a result of chemical and hydrostatic pressure change. It was found that the substitution of monoatomic cations for tetrahedral ammonium group was accompanied by rather significant change of electron density distribution, entropy, and phase diagrams. Some compounds studied were considered to be promising solid-state refrigerants owing to the pronounced barocaloric effect resulting from large entropy and baric coefficient of phase transitions.

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Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Laptash, N. M.
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Zinenko, V. I.
Lattice dynamics of MF3 crystals (M = Al, Ga, and In) / V. I. Zinenko, N. G. Zamkova // Phys. Solid State. - 2000. - Vol. 42, Is. 7. - P. 1348-1353, DOI 10.1134/1.1131391. - Cited References: 11 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
RAMAN-SCATTERING
   FERROELECTRICITY
   BATIO3
   PBTIO3
Аннотация: The phonon spectra, Born effective charges, and dielectric constants epsilon(infinity) for the square AlF3, square GaF3, and square InF3 crystals (where is a vacancy) have been calculated in terms of the generalized Gordon-Kim method. The calculated spectra of lattice vibrations contain no imaginary vibrational frequencies. This suggests the stability of the cubic phase of these compounds but contradicts the observable structural transition from cubic to rhombohedral phase. It is assumed that such a transition in the square AlF3, square GaF3, and square InF3 crystals is brought about by structural defects. The calculated spectrum of lattice vibrations of the "completely defective" crystal M square F-3 (M = Al, Ga, and In) indicates a strong instability of the cubic phase. Within the mean crystal approximation, the cubic phase of M-x M1 - xF3 crystals appears to be unstable at small x less than or equal to 0.05. (C) 2000 MAIK "Nauka/Interperiodica".

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна; Зиненко, Виктор Иванович
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Shalaev, V. M.
Small-particle composites .2. Nonlinear optical properties / V. M. Shalaev, E. Y. Poliakov, V. A. Markel // Phys. Rev. B. - 1996. - Vol. 53, Is. 5. - P. 2437-2449, DOI 10.1103/PhysRevB.53.2437. - Cited References: 45 . - ISSN 0163-1829

РУБ Physics, Condensed Matter
Рубрики:
FRACTAL CLUSTERS
   RAMAN-SCATTERING
   SUSCEPTIBILITY
   CONDUCTIVITY
   EXCITATIONS
   COLLOIDS
   LIGHT
Аннотация: Strong fluctuations of local fields may result in very large optical nonlinearities in small-particle composites. Enhancement associated with particle clustering is found for a number of optical processes, including four-wave mixing (FWM), third-harmonic generation (THG), Raman scattering, and nonlinear refraction and absorption in Kerr media. Field fluctuations and optical nonlinear susceptibilities are especially large in fractal clusters. The enhancement of optical processes is expressed in terms of the resonant linear absorption by collective dipolar eigenmodes in a cluster, and quality factors, q, of the modes (q much greater than 1). It is shown that the susceptibility of a composite material consisting of random small-particle clusters is proportional to q(3) for Raman scattering and the Kerr optical nonlinearity, and to q(4) and q(6) for THG and FWM, respectively. For all of these processes, a spectral dependence of the effective susceptibility is found. Broad-scale numerical simulations of the optical response in small-particle composites are performed to complement the theory. The simulations are in reasonable agreement with available experimental data.

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Держатели документа:
LV KIRENSKII INST PHYS,KRASNOYARSK 660036,RUSSIA
RUSSIAN ACAD SCI,INST AUTOMAT & ELECTROMETRY,NOVOSIBIRSK 630090,RUSSIA
ИФ СО РАН

Доп.точки доступа:
Poliakov, E. Y.; Markel, V. A.
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10.

Optical studies of phase transitions in the (NH4)(3)Ti(O-2)F-5 crystal / S. V. Mel'nikova [et al.] // Phys. Solid State. - 2009. - Vol. 51, Is. 4. - P. 817-822, DOI 10.1134/S1063783409040301. - Cited References: 13. - This work was supported by the Council on Grants from the President of the Russian Federation (project no. NSh-1011.2008.2), the Russian Foundation for Basic Research (project no. 06-02-16102), and RFBR Enisei (project no. 07-02-096800). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
(NH4)(3)WO3F3 OXYFLUORIDE
RAMAN-SCATTERING
DISORDER
Аннотация: Polarization-optical study of twinning and measurements of the Raman spectra and birefringence in oxyfluoride (NH4)(3)Ti(O-2)F-5 were carried out over the temperature range 90-350 K. Phase transitions were detected at temperatures T (01) = 266 K (second-order transition) and T (02) = 225 K (first order). It is assumed that the crystal symmetry is changed as follows: Fm3m a dagger" I4/mmm a dagger" I4/m. Anomalies of the spectral parameters are established in the frequency range of internal vibrations of ammonium ions and Ti(O-2)F-5 complexes. An analysis of the results shows that the transition at T (01) is likely due to small shifts of the tetrahedral groups from their position on the triad axis and that the transition at T (02) is due to fluorine-oxygen ordering of Ti(O-2)F-5 complexes.

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Держатели документа:
[Mel'nikova, S. V.
Krylov, A. S.
Zhogal', A. L.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Laptash, N. M.] Russian Acad Sci, Inst Chem, Far E Div, Vladivostok 690022, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Institute of Chemistry, Far East Division, Russian Academy of Sciences, pr. Stoletiya Vladivostoka 159, Vladivostok 690022, Russian Federation

Доп.точки доступа:
Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Krylov, A. S.; Крылов, Александр Сергеевич; Zhogal', A. L.; Laptash, N. M.; Russian Federation [NSh-1011.2008.2]; Russian Foundation for Basic Research [06-02-16102]; RFBR Enisei [07-02-096800]
}
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